Pentane-1,3,5-tricarboxylic acid
Basic information
- CAS
6940-58-5- Standard SMILES
O=C(O)CCC(CCC(=O)O)C(=O)O- InChIKey
ROTJZTYLACIJIG-UHFFFAOYSA-N- Molecular formula
- C8H12O6
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.0633881
Names & identifiers
- Preferred name
- Pentane-1,3,5-tricarboxylic acid
- IUPAC
- pentane-1,3,5-tricarboxylic acid
- English name
- 1,3,5-Pentanetricarboxylic acid
- Molecular formula
- C8H12O6
- Molecular weight
- 204.18
Names & synonyms
1,3,5-Pentanetricarboxylic acid6940-58-5Pentane-1,3,5-tricarboxylic acid4-Carboxypimelic acidEINECS 230-087-2DTXSID50219529NSC 601561,3,5-TricarboxypentaneRefChem:171426DTXCID50142020230-087-2ROTJZTYLACIJIG-UHFFFAOYSA-N
Show more names
4-Carboxy-pimelic acidPentanetricarboxylicacid4-Carboxyheptanedioic acid1,3,5-PentanetricarboxylicAci1,3,5-PentanetricarboxylicAcid>1,3,5-PENTANETRICARBOXYLIC ACID 98+%
Octric acidMFCD000205461,3,5-Pentanetricarboxylicacid1,5-TricarboxypentaneNSC-60156NSC60156STK366691AKOS005443446
Database identifiers
- CAS
6940-58-5- PubChem CID
- 96220
- DTXSID
DTXSID50219529- UNII
- BER6XSP3DG
- EC Number
- 230-087-2
- Nikkaji
- J208.830D
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 113 °C · 113°C
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Soluble in water
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2917.19 · 2917.19.2700
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2917.19.2700
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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